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File Text
4.19_463.0911 colored by S ample G roup (orig inal)
HK Component identification8CHK
-3 Std. Dev
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3 Std. Dev
EZinf o 2 - HK Component identif ication8 (M5: OPLS-DA) - 2011-09-14 06:01:53 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 463134
4.17
3.820.54 3.333.172.47
13.9211.9111.64
9.114.368.987.325.674.52 4.87
7.096.486.13
7.56 8.47 10.919.989.44 10.75 11.36
12.1312.77
13.57
14.06
14.22
Guo_SWT_110620_90 1: TOF MS ES- 463
1.54e44.20
4.75 463.0911C21H20O12
Supplemental Fig.1-4.19_463.0911
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4.77
_463
.081
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File Text
4.77_463.0812 colored by S ample G roup (orig inal)
HK Component identification9CHK
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EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 06:46:28 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 463.081
1334.17
3.820.54 3.333.172.47
13.9212.1311.91
9.114.368.987.325.674.68 4.87 7.13
6.486.137.56 7.95 10.919.989.44 10.75 11.36
12.7712.83
13.57
14.06
14.22
Guo_SWT_110620_90 1: TOF MS ES- 463.081
1.54e44.20
4.75 463.0812C21H20O12
Supplemental Fig.2-4.77_463.0812
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3.15
_493
.063
1
File Text
3.15_493.0631 colored by S ample G roup (orig inal)
HK Component identification9CHK
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2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 07:51:02 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 493.063
16713.92
12.719.243.40
0.58
9.058.538.377.607.446.936.60
6.325.204.974.75 5.45
11.9910.269.72 11.5611.03 12.99
14.02
Guo_SWT_110620_90 1: TOF MS ES- 493.063
1.45e44.59
3.17 5.32
493.0631C21H18O14
Supplemental Fig.3-3.15_493.0631
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4.60
_493
.062
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File Text
4.60_493.0624 colored by S ample G roup (orig inal)
HK Component identification9CHK
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2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 06:18:53 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 493.062
16713.92
12.719.243.40
0.58
9.058.538.377.607.446.936.60
6.325.204.974.75 5.45
11.9910.269.72 11.5611.03 12.99
14.02
Guo_SWT_110620_90 1: TOF MS ES- 493.062
1.45e44.59
3.17 5.32
493.0624C21H18O14
Supplemental Fig.4-4.60_493.0624
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5.29
_493
.062
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File Text
5.29_493.0620 colored by S ample G roup (orig inal)
HK Component identification9CHK
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3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:17:16 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 493.062
16713.92
12.719.243.40
0.58
9.058.538.377.607.446.936.60
6.325.204.974.75 5.45
11.9910.269.72 11.5611.03 12.99
14.02
Guo_SWT_110620_90 1: TOF MS ES- 493.062
1.45e44.59
3.17 5.32
493.0620C21H18O14
Supplemental Fig.5-5.29_493.0620
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4.28
_479
.079
8
File Text
4.28_479.0798 colored by S ample G roup (orig inal)
HK Component identification9CHK
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EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 06:49:53 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 479.079
57.413.92
12.3811.14
10.5210.26
10.079.959.569.188.72
7.417.096.094.90
3.850.58
4.595.10
6.026.41
7.868.02
8.82
11.8711.75 12.64
12.80
12.99
13.15
14.18
14.31
14.76
Guo_SWT_110620_90 1: TOF MS ES- 479.0796.50e3
4.29
3.85
3.59
479.0798C21H20O13
Supplemental Fig.6-4.28_479.0798
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Variables colored by S ample G roup (orig inal)
HK Component identification93.83_479.0807 C3.83_479.0807 HKHK Component identification93.91_479.0787 C3.91_479.0787 HK
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 06:51:08 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 479.081
57.413.92
12.3811.14
10.5210.26
10.079.959.569.188.72
7.417.09
6.414.903.85
0.584.59
5.10 6.09 7.02
7.868.02
8.82
11.8711.75 12.64
12.80
12.99
13.15
14.18
14.31
14.76
Guo_SWT_110620_90 1: TOF MS ES- 479.0816.50e3
4.29
3.85
3.59
479.0810C21H20O13
Supplemental Fig.7-3.85_479.0810
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3.50
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.066
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3.50_477.0660 colored by S ample G roup (orig inal)
HK Component identification9CHK
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EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 06:53:05 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 477.066
63.412.6112.26
12.19
12.06
11.94
11.499.40
8.027.700.54
0.32
6.675.104.394.042.31
1.983.85
5.74 6.417.41
8.768.1411.1710.7510.07
12.68
12.9613.92
13.1514.06
14.50
14.69
Guo_SWT_110620_90 1: TOF MS ES- 477.066
3.87e33.52
4.52
477.0660C21H18O13
Supplemental Fig.8-3.50_477.0660
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4.21
_464
.095
4
File Text
4.21_464.0954 colored by S ample G roup (orig inal)
HK Component identification9CHK
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EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 07:07:10 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 464.095
25.34.17
3.270.54
0.32
1.400.771.31
3.202.942.472.01
4.013.75
13.92
11.64
9.729.378.537.837.63
7.136.485.135.06
4.435.52
6.065.94
8.148.86
10.5210.3310.87
12.5211.75
12.6813.06
13.73
14.06
14.22
14.60
Guo_SWT_110620_90 1: TOF MS ES- 464.095
4.42e34.20
4.75
464.0954C21H21O12
Supplemental Fig.9-4.21_464.0954
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4.90
_317
.028
6
File Text
4.90_317.0286 colored by S ample G roup (orig inal)
HK Component identification9CHK
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EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 07:11:55 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 317.029
23513.92
0.5812.13
11.9111.528.867.767.096.866.48
6.225.715.014.550.77
7.56 8.538.21 9.37 9.56 9.79 10.1712.52
12.68
14.02
Guo_SWT_110620_90 1: TOF MS ES- 317.029
3.34e34.87
4.59
13.92
317.0286C15H10O8
Supplemental Fig.10-4.90_317.0286
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4.82
_317
.028
0
File Text
4.82_317.0280 colored by S ample G roup (orig inal)
HK Component identification9CHK
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2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 07:12:52 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 317.028
23513.92
0.5812.13
11.9111.528.867.767.096.866.48
6.225.715.014.550.77
7.56 8.538.21 9.37 9.56 9.79 10.1712.52
12.68
14.02
Guo_SWT_110620_90 1: TOF MS ES- 317.028
3.34e34.87
4.59
13.92
317.0280C15H10O8
Supplemental Fig.11-4.82_317.0280
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6.31
_329
.231
4
File Text
6.31_329.2314 colored by S ample G roup (orig inal)
HK Component identification9CHK
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2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 07:14:27 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 329.231
42.16.29
6.064.904.754.393.400.54 3.14
2.501.861.791.12
4.045.715.55
13.9212.2211.33
8.63
7.957.606.486.79
8.44
9.72
9.569.1410.21 11.10
11.87 12.29
12.64
12.77
13.06
13.29
14.11
14.41
14.7614.83
Guo_SWT_110620_90 1: TOF MS ES- 329.231
2.43e36.32
329.2314C18H34O5
Supplemental Fig.12-6.31_329.2314
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6.03
_327
.215
2
File Text
6.03_327.2152 colored by S ample G roup (orig inal)
HK Component identification9CHK
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EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 07:17:26 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 327.215
95.111.1010.78
10.49
10.1410.01
9.56
9.499.378.91
8.564.78
4.394.20 8.216.51
11.71 12.26 12.41
12.57
12.71
14.0612.9613.92
13.15
13.34
14.25
14.57
14.88
Guo_SWT_110620_90 1: TOF MS ES- 327.215
2.45e36.02
0.58
327.2152C18H32O5
Supplemental Fig.13-6.03_327.2152
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5.20
_521
.092
2
File Text
5.20_521.0922 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
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2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 07:18:05 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 521.092
29.10.58
0.28
13.9911.297.63
5.945.64
4.684.554.173.753.47
3.083.012.662.401.28
3.94
5.29
7.446.906.06
6.29
11.178.567.79
7.908.72 11.039.21
9.889.72 9.98
12.8011.68
12.99
13.06
13.19
14.06
14.25
14.34
14.5014.88
Guo_SWT_110620_90 1: TOF MS ES- 521.092
2.72e35.20
4.810.67
521.0922C23H22O14
Supplemental Fig.14-5.20_521.0922
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3.43
_655
.117
4
File Text
3.43_655.1174 c olored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
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2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component ident if ication9 (M3: OPLS-DA) - 2011-09-14 07:18:50 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 655.117
35.211.8411.0310.87
10.406.09
5.39
4.624.52
0.580.38 3.973.75
3.242.50
4.875.74
10.21
9.889.569.306.228.216.44
7.137.06
6.71
7.63 8.60
8.82
11.14
11.4513.92
12.33
12.57
13.03
13.34
14.06
14.18
14.38
14.57
Guo_SWT_110620_90 1: TOF MS ES- 655.117
2.50e33.43
655.1174C27H28O19
Supplemental Fig.15-3.43_655.1174
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4.10
_610
.152
1
File Text
4.10_610.1521 colored by S ample G roup (orig inal)
HK Component identification9CHK
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2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 07:21:27 (UTC+8)
HK-1
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Guo_SWT_110620_85 1: TOF MS ES- 610.152
47.44.24
3.91
3.330.54 2.892.702.241.981.511.21
7.906.936.74
6.135.254.62
5.01
5.907.79
7.44
8.34 9.959.829.338.44
8.6314.1113.9910.65 11.36 12.6111.80
13.76
14.2514.53
Guo_SWT_110620_90 1: TOF MS ES- 610.152
2.41e34.04
610.1521C27H31O16
Supplemental Fig.16-4.10_610.1521
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HK-
5
4.61
_723
.506
5
File Text
4.61_723.5065 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 07:24:06 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 723.507
22.613.92
10.404.33
0.513.973.913.402.982.660.89
2.31
9.446.796.16
4.43 5.555.20
5.10 5.876.36
9.118.257.516.86
7.637.83
8.86
8.6710.179.88
9.68
11.1710.8411.84
12.06
12.13
12.71
12.87
13.19
14.34
14.50
14.64
Guo_SWT_110620_90 1: TOF MS ES- 723.507
2.29e34.62
723.5065C37H75NO10P
Supplemental Fig.17-4.61_723.5065
-200
0
200
400
600
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
4.07
_609
.141
4
File Text
4.07_609.1414 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 06:41:38 (UTC+8)
C-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 609
20.99.53
7.866.364.87
4.593.94
0.54
0.28
3.823.522.94
2.592.501.441.352.08
4.52
5.785.645.20
7.06
6.647.28
7.63
8.958.608.37
8.21 8.76
9.44
11.8410.56
10.269.98 11.17 11.4213.96
12.2212.68
12.83
13.19
13.34
14.06
14.22
14.38
14.50
14.5714.92
Guo_SWT_110620_90 1: TOF MS ES- 609
1.00e44.04
609.1414C27H30O16
Supplemental Fig.18-4.07_609.1414
0
10
20
30
40
50
60
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
File Text
Variables colored by S ample G roup (orig inal)
HK Component identification93.83_595.1334 C3.83_595.1334 HKHK Component identification93.91_595.1311 C3.91_595.1311 HK
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 07:54:56 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 595.133
31.313.92
9.21
9.118.057.136.445.394.62
3.850.58
0.32
3.62
3.082.822.361.210.96
2.172.01 2.56
4.24
4.784.976.095.97
6.797.797.51
8.25 8.56
9.53 9.63 11.1010.8410.10
11.91
11.36
12.06
12.33 12.57
12.71
13.10
13.41
14.02
14.38
14.83
Guo_SWT_110620_90 1: TOF MS ES- 595.133
2.19e33.85
595.1334C26H28O16
Supplemental Fig.19-3.85_595.1334
-50
0
50
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
4.76
_464
.090
8
File Text
4.76_464.0908 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:04:41 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 464.091
25.34.17
3.270.54
0.32
1.400.771.31
3.202.942.472.01
4.013.59
13.92
11.64
9.729.378.537.83
7.136.485.135.06
4.435.52
6.065.94
7.63 8.148.86
10.5210.07
10.87
12.5211.75
12.6813.06
13.73
14.06
14.22
14.60
Guo_SWT_110620_90 1: TOF MS ES- 464.091
4.42e34.20
4.75
464.0908C21H21O12
Supplemental Fig.20-4.76_464.0908
-40
-20
0
20
40
60
80
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
3.80
_625
.144
1
File Text
3.80_625.1441 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:08:09 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 625.144
32.813.92
11.36
10.407.066.025.134.94
4.593.85
0.58
0.383.663.202.702.471.54
5.36
5.52
6.996.86
8.768.567.70
7.98
8.34
10.019.689.18
11.07
11.52
11.94 12.0612.64
12.96
13.48
14.02
14.22
14.38
14.64
14.95
Guo_SWT_110620_90 1: TOF MS ES- 625.144
1.53e33.78
3.91
4.43
625.1441C27H30O17
Supplemental Fig.21-3.80_625.1441
0
10
20
30
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
File Text
Variables colored by S ample G roup (orig inal)
HK Component identification93.83_480.0876 C3.83_480.0876 HKHK Component identification93.91_480.0870 C3.91_480.0870 HK
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:13:59 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 480.088
31.013.92
10.78
9.729.249.02
8.767.95
7.486.995.645.063.66
2.752.430.740.54
2.28 3.33
4.784.24 5.36 5.97 6.48
8.34 9.49
10.72
9.91
11.8010.94
11.61
12.0612.64
12.5212.77
12.90
12.9913.10
14.02
14.18
14.44
14.83
Guo_SWT_110620_90 1: TOF MS ES- 480.088
1.35e34.29
3.85
3.59
9.33
4.81
480.0876C21H21O13
Supplemental Fig.22-?_480.0876
-20
0
20
40
60
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
4.17
_928
.198
8
File Text
4.17_928.1988 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:16:00 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 928.199
8.1014.0210.52
9.79
9.248.347.905.20
5.10
4.871.35
0.700.54
1.24
4.554.334.102.982.40
3.71
5.64 7.837.327.186.83
6.646.29
8.05
8.56
8.91 9.72
9.98
13.92
11.29
11.22
10.98
12.1311.80
12.77
12.68 12.99
13.41
14.22
14.44
Guo_SWT_110620_90 1: TOF MS ES- 928.199
1.06e34.17
4.75
928.1988C42H41O24
Supplemental Fig.23-4.17_928.1988
-200
-100
0
100
200
300
400
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
5.53
_301
.030
5File Text
5.53_301.0305 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 06:47:40 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 301.031
41.214.02
13.92
12.38
12.2911.9111.36
8.798.378.257.835.550.54
0.16
4.203.625.45
6.51
5.78 6.25 7.02
11.268.86 9.49 10.8410.30
12.64
12.80
13.19
13.34
14.15
14.50 14.6414.80
Guo_SWT_110620_90 1: TOF MS ES- 301.031
6.27e35.52
3.36 4.75
301.0305C15H10O7
Supplemental Fig.24-5.53_301.0305
-20
0
20
40
60
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
5.52
_302
.038
6
File Text
5.52_302.0386 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:20:08 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 302.039
16.614.1112.13
5.45
3.913.822.31
1.980.770.54
0.32 1.790.93 1.51
3.403.33
2.942.82
4.944.78
4.554.36
6.41
5.87
6.25
10.498.408.187.51
7.447.09
6.86
7.98 8.82 9.829.63
9.56
11.10
10.84
11.99
11.84
13.9212.33
12.96
13.22
13.80
14.60
Guo_SWT_110620_90 1: TOF MS ES- 302.039
9935.52
3.36 4.754.17
302.0386C15H11O7
Supplemental Fig.25-5.52_302.0386
-20
0
20
40
60
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
2.66
_318
.119
3
File Text
2.66_318.1193 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:21:44 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 318.119
27.714.02
12.22
12.03
11.8711.4910.56
9.336.516.32
5.014.75
4.552.120.700.58 0.96 3.523.01
2.854.39
6.13
5.785.25
7.956.79
7.327.13 7.768.67
8.288.91
9.49 10.33
9.8211.07
13.9212.45
12.64
12.90
12.99
13.57
14.15
14.31
14.38 14.80
14.92
Guo_SWT_110620_90 1: TOF MS ES- 318.119
1.11e32.66
1.860.82
4.87
3.05
4.59
318.1193C12H21N3O5S
Supplemental Fig.26-2.66_318.1193
-20
0
20
40
60
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
9.35
_540
.333
3
File Text
9.35_540.3333 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:22:19 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 540.333
17.213.99
13.92
7.320.54
0.25
3.71
3.62
3.431.661.241.09 3.172.702.591.86
6.866.674.943.85 4.875.83
5.32
5.647.18
9.598.37
7.867.51
9.40
9.148.44
10.10
9.91
12.1910.4011.49
11.0710.94
12.52
12.7712.90
13.38
14.06
14.34
14.53
14.92
Guo_SWT_110620_90 1: TOF MS ES- 540.333
9749.33
0.67
540.3333C29H51NO6S
Supplemental Fig.27-9.35_540.3333
-20
0
20
40
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
4.66
_724
.509
8
File Text
4.66_724.5098 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:23:19 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 724.51
11.59.639.050.58
0.44
6.794.33
4.13
4.04
3.781.47
0.77
1.12
3.663.242.851.98
2.40
6.514.55
5.785.45
4.976.25
6.998.797.90
7.607.068.568.40 9.44
14.0610.0710.49 13.9211.26
11.14
10.94
11.84
12.7112.22
12.80
13.10
13.48
14.41
14.64
14.95
Guo_SWT_110620_90 1: TOF MS ES- 724.51
8594.62
3.78
724.5098C41H74O8P
Supplemental Fig.28-4.66_724.5098
-20
0
20
40
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
4.20
_465
.097
9
File Text
4.20_465.0979 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:26:01 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 465.098
49513.92
12.61
11.87
10.459.759.569.118.217.447.326.51
10.72
12.77
13.76
Guo_SWT_110620_90 1: TOF MS ES- 465.098
9664.20
0.73
4.75
13.99
465.0979C21H22O12
Supplemental Fig.29-4.20_465.0979
-20
0
20
40
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
4.59
_495
.069
4
File Text
4.59_495.0694 colored by S ample G roup (orig inal)
HK Component identification9CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication9 (M3: OPLS-DA) - 2011-09-14 08:28:47 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 495.069
45313.92
9.728.798.638.147.51
6.605.583.71
10.0710.68 11.45 11.75
14.06
Guo_SWT_110620_90 1: TOF MS ES- 495.069
8493.78
3.52
3.17
0.58
4.55
13.92
4.81
5.36 5.649.338.86 9.91 14.06
495.0694C21H20O14
Supplemental Fig.30-4.59_495.0694
-20
0
20
40
60
C-1
C-2
C-3
C-4
C-5
HK-
1
HK-
2
HK-
3
HK-
4
HK-
5
4.17
_928
.198
8
File Text
4.17_928.1988 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif icat ion10 (M3: OPLS-DA) - 2011-09-14 10:12:30 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 928.199
8.1014.0210.52
9.79
9.248.347.905.20
5.10
4.871.35
0.700.54
1.24
4.554.334.102.982.40
3.71
5.64 7.837.327.186.83
6.646.29
8.05
8.56
8.91 9.72
9.98
13.92
11.29
11.22
10.98
12.1311.80
12.77
12.68 12.99
13.41
14.22
14.44
Guo_SWT_110620_90 1: TOF MS ES- 928.199
1.06e34.17
4.75
928.1988C42H41O24
Supplemental Fig.31-4.17_928.1988
-20
0
20
40
C-1
C-2
C-3
C-4
C-5
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1
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2
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3
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4
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5
3.53
_401
.147
2
File Text
3.53_401.1472 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif icat ion10 (M3: OPLS-DA) - 2011-09-14 10:32:03 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
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100
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 401.147
25.312.57
12.3811.68
11.529.216.16
3.620.54
0.353.362.890.67
2.471.701.54 2.28
2.70
5.064.04 4.29
4.36
6.065.58
5.78
7.906.41
7.256.71 7.449.14
8.448.37
8.098.95
11.07
10.6510.339.33
10.079.88
12.77
13.96
13.03
13.45
14.06
14.25
14.88
Guo_SWT_110620_90 1: TOF MS ES- 401.147
7883.47
0.70
6.36
5.644.87
401.1472C25H22O5
Supplemental Fig.32-3.53_401.1472
-20
0
20
40
C-1
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C-3
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3.61
_611
.128
8
File Text
3.61_611.1288 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif icat ion10 (M3: OPLS-DA) - 2011-09-14 10:34:47 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
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100
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%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 611.129
25.69.889.63
6.02
4.24
3.940.54
0.323.853.472.941.63
0.741.40
2.592.08 3.14
5.39
4.33 5.204.87
5.83
8.988.606.676.29 7.13
6.837.28 7.86
8.44
9.30
11.5610.0710.8410.40 13.92
12.13
12.3812.45
12.7712.90
13.19
13.60
14.25
14.34
14.50
14.76
Guo_SWT_110620_90 1: TOF MS ES- 611.129
8453.62
4.04
13.92
611.1288C26H28O17
Supplemental Fig.33-3.61_611.1288
-20
-10
0
10
20
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40
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3.59
_210
.075
9
File Text
3.59_210.0759 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif icat ion10 (M3: OPLS-DA) - 2011-09-14 10:41:03 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
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100
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%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 210.076
52.513.92
12.5212.220.70
0.44
11.268.607.095.580.86 1.21 5.484.813.973.663.36 4.366.32 6.60 7.867.63
8.3410.148.86
9.14 10.40 12.8313.10
14.2214.41
Guo_SWT_110620_90 1: TOF MS ES- 210.076
6743.59
0.67 3.43
4.59 13.92
210.0759C10H13NO4
Supplemental Fig.34-3.59_210.0759
-20
-10
0
10
20
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40
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3.22
_191
.054
7File Text
3.22_191.0547 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif icat ion10 (M3: OPLS-DA) - 2011-09-14 10:42:50 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
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100
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100
Guo_SWT_110620_85 1: TOF MS ES- 191.055
33414.31
13.99
8.286.290.38 1.54 1.89 7.956.48 8.95 11.9111.10 12.48
Guo_SWT_110620_90 1: TOF MS ES- 191.055
1.75e30.67
3.24
0.82
3.66
14.31
191.0547C7H12O6
Supplemental Fig.35-3.22_191.0547
-20
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40
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5.22
_522
.100
0File Text
5.22_522.1000 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication10 (M3: OPLS-DA) - 2011-09-14 10:44:16 (UTC+8) HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
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%
0
100
Guo_SWT_110620_85 1: TOF MS ES- 522.1
17.28.47
8.34
5.48
4.780.58
0.51
4.684.203.14
3.01
2.892.402.170.93
4.043.66
5.06
7.796.836.515.94
6.067.25
8.02
8.6014.3111.849.799.21
8.919.68
9.53
10.56
9.98 10.87 11.03
13.9611.9412.26
12.77
12.96
13.10
14.44
14.95
Guo_SWT_110620_90 1: TOF MS ES- 522.1
6575.20
4.810.67 3.94
522.1000C24H27ClNO6PS
Supplemental Fig.36-5.22_522.1000
-20
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40
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3.88
_415
.162
7
File Text
3.88_415.1627 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
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2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif icat ion10 (M3: OPLS-DA) - 2011-09-14 10:41:33 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
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%
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Guo_SWT_110620_85 1: TOF MS ES- 415.163
36.013.92
8.25
7.217.09
6.295.585.363.66
0.54
0.323.432.660.82 2.47
2.241.863.20
4.90
4.364.13 6.166.48
7.377.70
11.9911.75
8.76 9.799.44 11.4211.2610.59
12.1012.57
13.0313.19
14.02
14.44
14.69
Guo_SWT_110620_90 1: TOF MS ES- 415.163
6443.91
0.77
415.1627C20H24N4O6
Supplemental Fig.37-3.88_415.1627
-20
-10
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10
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30
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2.89
_182
.044
5
File Text
2.89_182.0445 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication10 (M3: OPLS-DA) - 2011-09-14 10:47:40 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
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Guo_SWT_110620_85 1: TOF MS ES- 182.045
44.711.87
11.71
11.52
0.74
0.58
11.3310.84
10.149.919.057.413.242.702.501.511.28 2.12 3.75
4.524.24 7.096.064.90 6.93
8.608.258.189.72
10.26
12.33
13.92
12.61
12.80
12.96
13.0613.29
14.06
14.25 14.6914.92
Guo_SWT_110620_90 1: TOF MS ES- 182.045
6522.89
2.63
0.77 12.29
182.0445C8H9NO4
Supplemental Fig.38-2.89_182.0445
-10
0
10
20
30
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3.62
_337
.093
8
File Text
3.62_337.0938 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif ication10 (M3: OPLS-DA) - 2011-09-14 10:49:10 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
%
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Guo_SWT_110620_85 1: TOF MS ES- 337.094
22612.77
12.64
12.2211.1010.9110.37
9.307.516.095.254.754.040.515.83 6.86 8.05 8.918.82
9.5611.56
14.25
13.92
14.41
Guo_SWT_110620_90 1: TOF MS ES- 337.094
5013.66
3.363.141.59
14.31
12.873.94 11.7111.566.09 8.4712.57 13.92
337.0938C16H18O8
Supplemental Fig.39-3.62_337.0938
-20
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5.30
_505
.102
4
File Text
5.30_505.1024 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif icat ion10 (M3: OPLS-DA) - 2011-09-14 10:49:42 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
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Guo_SWT_110620_85 1: TOF MS ES- 505.102
50.112.52
12.33
12.13
11.91
11.71
7.096.866.06
5.900.58
0.05
5.104.754.59
6.48
9.408.217.797.25 9.028.37
11.1710.5610.37
12.71
14.02
13.92
13.38
14.15
14.25
14.50
Guo_SWT_110620_90 1: TOF MS ES- 505.102
5885.32
4.68
0.540.733.753.17
4.81
8.987.95 13.92
505.1024C23H22O13
Supplemental Fig.40-5.30_505.1024
-20
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30
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5.62
_421
.188
7
File Text
5.62_421.1887 colored by S ample G roup (orig inal)
HK Component identification10CHK
-3 Std. Dev
-2 Std. Dev
2 Std. Dev
3 Std. Dev
EZinf o 2 - HK Component identif icat ion10 (M3: OPLS-DA) - 2011-09-14 10:50:55 (UTC+8)
HK-1
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00 11.00 12.00 13.00 14.00
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Guo_SWT_110620_85 1: TOF MS ES- 421.189
36.60.54
0.19
12.4112.10
11.9411.45
11.33
10.26
9.339.114.974.75
4.043.363.24
0.773.82
4.43
7.256.295.10 6.13
5.29 5.87
7.13 8.217.51 8.76
10.07
10.6811.26
13.9612.52
12.77
12.96
13.03
13.25
14.18
14.34
14.57
Guo_SWT_110620_90 1: TOF MS ES- 421.189
5815.64
0.54
0.703.47 13.96
421.1887C23H26N4O4
Supplemental Fig.41-5.62_421.1887
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